Information card for entry 4107765

Structure parameters

• Formula: C18 H36 N4 S4 Zn2
• Calculated formula: C18 H36 N4 S4 Zn2
• SMILES: C1[N]23CCC[N]4([Zn]53([S](CC4)[Zn]346[N]7(CC[S]54)CC[N]3(CCC7)CCS6)SCC2)C1
• Title of publication: Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions
• Authors of publication: Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6272 - 6280
• a: 8.1341 ± 0.0009 Å
• b: 10.4101 ± 0.0011 Å
• c: 13.6281 ± 0.0014 Å
• α: 90°
• β: 94.148 ± 0.007°
• γ: 90°
• Cell volume: 1151 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No